Inorganic Solid Phases

monohydride in (Ti0.8V1.2Mn1.0)H2.7 (Ti0.27V0.40Mn0.33H) Crystal Structure

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General Information

  • Phase Label(s): Ti0.27V0.40Mn0.33H
  • Structure Class(es): rocksalt family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF8
  • Space Group: 225
  • Phase Prototype: NaCl
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku RINT-2500 V (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RB = 0.0308
  • Sample Detail(s): sample prepared from Ti0.8V1.2Mn, H2, amounts of Zr3V3O-type phase (14.6 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ti0.27V0.40Mn0.33H
  • Alphabetic Formula: HMn0.33Ti0.27V0.40
  • Published Formula: monohydride in (Ti0.8V1.2Mn1.0)H2.7
  • Refined Formula: HMn0.33Ti0.27V0.40
  • Wyckoff Sequence: 225,ba
  • Z Formula Units: 4
  • Density: ρ = 5.49 Mg·m−3
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Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1637302

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

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